Compound Identification
SMILES
COC(=O)C1=C(C)NC(C)=C(C1C1=C(OCCCCNCC(O)COC2=CC=C(Cl)C=C2)C=CC(=C1)[N+]([O-])=O)C(=O)OC
InChIKey
InChIKey=DTVYJLMVHWAEGC-UHFFFAOYSA-N
Formula
C30H36ClN3O9
Mass
618.08
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Nitrobenzenes
- Level 5 Nitrophenyl ethers
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Subclass
Nitrobenzenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrophenyl ethers
Alternative Parents
Dihydropyridinecarboxylic acids and derivatives Phenoxy compounds Phenol ethers Nitroaromatic compounds Chlorobenzenes Alkyl aryl ethers Dicarboxylic acids and derivatives Aryl chlorides Vinylogous amides Enoate esters Methyl esters Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Enamines Dialkylamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Dihydropyridinecarboxylic acid derivative - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Dihydropyridine - Dicarboxylic acid or derivatives - Aryl halide - Hydropyridine - Aryl chloride - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Methyl ester - Enoate ester - 1,2-aminoalcohol - Amino acid or derivatives - Organic nitro compound - C-nitro compound - Carboxylic acid ester - Secondary alcohol - Organic 1,3-dipolar compound - Secondary aliphatic amine - Organic oxoazanium - Organoheterocyclic compound - Ether - Azacycle - Propargyl-type 1,3-dipolar organic compound - Enamine - Secondary amine - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
External Descriptors
Not available